[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate

C20H28N4O2 — CID 139331775

IUPAC[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)c(CN1CCCC1)cn2C1CCNCC1
InChIInChI=1S/C20H28N4O2/c1-21-20(25)26-17-4-5-19-18(12-17)15(13-23-10-2-3-11-23)14-24(19)16-6-8-22-9-7-16/h4-5,12,14,16,22H,2-3,6-11,13H2,1H3,(H,21,25)
InChIKeyJUJSSBMXXRQLBQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds4

About [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate

[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate (PubChem CID 139331775) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
PubChem CID139331775
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)c(CN1CCCC1)cn2C1CCNCC1
InChIInChI=1S/C20H28N4O2/c1-21-20(25)26-17-4-5-19-18(12-17)15(13-23-10-2-3-11-23)14-24(19)16-6-8-22-9-7-16/h4-5,12,14,16,22H,2-3,6-11,13H2,1H3,(H,21,25)
InChIKeyJUJSSBMXXRQLBQ-UHFFFAOYSA-N
XLogP2.88
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-aminoethyl)-1-piperidin-4-ylindol-5-yl] carbamate
CID 139331762
[1-[1-(4-ethylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl] sulfamate
CID 139547433
(1-piperidin-4-ylindol-6-yl) acetate
CID 174552540
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
3-methyl-1-(3-methyl-1-piperidin-4-ylindol-5-yl)-1-(3-oxopropyl)urea
CID 176563400
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 93061536
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
[2-[5-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-piperidin-4-ylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
CID 129185719
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
CID 83785093

Frequently Asked Questions

What is the IUPAC name of [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate?
The IUPAC name of [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate (CID 139331775) is [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate.
What is the SMILES notation for [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate?
The canonical SMILES for [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)c(CN1CCCC1)cn2C1CCNCC1.
What is the InChIKey of [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate?
The InChIKey is JUJSSBMXXRQLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-21-20(25)26-17-4-5-19-18(12-17)15(13-23-10-2-3-11-23)14-24(19)16-6-8-22-9-7-16/h4-5,12,14,16,22H,2-3,6-11,13H2,1H3,(H,21,25).
What are the key properties of [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate?
[1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate has a molecular weight of 356.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl] N-methylcarbamate is sourced from PubChem (CID 139331775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).